3WDF
Staphylococcus aureus UDG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.408, 79.494, 62.627 |
| Unit cell angles | 90.00, 112.06, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.480 |
| R-factor | 0.14872 |
| Rwork | 0.146 |
| R-free | 0.19232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jhq |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.643 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.040 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.061 | |
| Number of reflections | 82029 | |
| <I/σ(I)> | 26.5 | |
| Completeness [%] | 96.6 | 94.7 |
| Redundancy | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 298 | 0.1M Hepes sodium pH7.5, 10% 2-propanol, 18% PEG 4000 , EVAPORATION, temperature 298K |
